Tables for
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.8, p. 332

Figure 3.8.6 

C. J. Gilmore,a G. Barra and W. Donga*

aDepartment of Chemistry, University of Glasgow, University Avenue, Glasgow, G12 8QQ, UK
Correspondence e-mail:

[Figure 3.8.6]
Figure 3.8.6

(a) The initial default dendrogram using the centroid clustering method on 13 PXRD patterns from 13 commercial aspirin samples. (b) The corresponding MMDS plot. It can be seen that both clusters have a natural break in them and should be partitioned into two clusters. (c) The dendrogram cut line is reduced. (d) The corresponding MMDS plot. The red cluster is now partitioned into two; the remaining patterns are a light-blue singleton and a green triplet cluster. (e) The default dendrogram using the single-link method.